Sugi Predict

Sugi Predict / Compounds / SCHEMBL1866366

SCHEMBL1866366

SCHEMBL1866366

CNCC(CC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ KMT2A Q03164 3/20 0.36
▸ AAK1 Q2M2I8 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ CACNA1B Q00975 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ REN P00797 2/20 0.30
▸ CTSL P07711 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1866367 1.00 CTSK (0.41) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL3605408 0.88 CTSK (0.43) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL1861343 0.88 CTSK (0.43) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL5512052 0.87 PPM1D (0.33) CTSKCTSSKMT2AMEN1REN
SCHEMBL1867461 0.87 PPM1D (0.33) CTSKCTSSKMT2AMEN1REN
SCHEMBL13256314 0.85 CTSK (0.41) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL1859887 0.83 CTSS (0.39) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL3607248 0.83 CTSS (0.39) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL3607246 0.83 CTSS (0.39) CTSKCTSSKMT2AAAK1CYP3A4
SCHEMBL3614944 0.82 CTSK (0.47) CTSKCTSSKMT2AAAK1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 CTSK 152/4885CTSS 95/4885KMT2A 2255/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE CTSK 31/4885CTSS 138/4885KMT2A 2621/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE CTSK 31/4885CTSS 138/4885KMT2A 2621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.